2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid

C10H20O9 — CID 175152462

IUPAC2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid
SMILESCC(O)(C(O)C(O)CO)C(O)(CC(O)CO)C(=O)O
InChIInChI=1S/C10H20O9/c1-9(18,7(15)6(14)4-12)10(19,8(16)17)2-5(13)3-11/h5-7,11-15,18-19H,2-4H2,1H3,(H,16,17)
InChIKeyRRWGVCAGQPFGNI-UHFFFAOYSA-N
MW284.26 g/mol
LogP-3.99
Rot. Bonds8

About 2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid

2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid (PubChem CID 175152462) has the molecular formula C10H20O9 and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid
PubChem CID175152462
Molecular FormulaC10H20O9
Molecular Weight284.26 g/mol
Exact Mass284.11
IUPAC Name2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid
SMILESCC(O)(C(O)C(O)CO)C(O)(CC(O)CO)C(=O)O
InChIInChI=1S/C10H20O9/c1-9(18,7(15)6(14)4-12)10(19,8(16)17)2-5(13)3-11/h5-7,11-15,18-19H,2-4H2,1H3,(H,16,17)
InChIKeyRRWGVCAGQPFGNI-UHFFFAOYSA-N
XLogP-3.99
TPSA178.91 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.26
LogP ≤ 5-3.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

2,4,5-trihydroxy-2-methylpentanoic acid
CID 87080116
2,3,4,5,6-pentahydroxy-3-methylhexanoic acid
CID 18957545
4,5,6,7-tetrahydroxy-3-methoxy-3,4-dimethylheptan-2-one
CID 22600717
2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]propanedioic acid
CID 22856678
(2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid
CID 163211863
2,3-dihydroxypropyl 2,3,4,5,6-pentahydroxy-2-methylhexanoate
CID 175213467
(2R,3R,4S,5R)-2-acetamido-2,3,4,5,6-pentahydroxyhexanoic acid
CID 89051494
(2R,4S)-2-methylpentane-1,2,4,5-tetrol
CID 54145508
[(2R,3R,4R)-1-borono-2,3,4,5-tetrahydroxy-1-oxopentan-2-yl]boronic acid
CID 123209169
(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal
CID 18341048
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
(4R,5S,6S,7R)-4,5,6,7,8-pentahydroxy-2-methyl-4-propan-2-yloctan-3-one
CID 54303416

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid?
The IUPAC name of 2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid (CID 175152462) is 2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid is CC(O)(C(O)C(O)CO)C(O)(CC(O)CO)C(=O)O.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid?
The InChIKey is RRWGVCAGQPFGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O9/c1-9(18,7(15)6(14)4-12)10(19,8(16)17)2-5(13)3-11/h5-7,11-15,18-19H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid?
2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid has a molecular weight of 284.26 g/mol, XLogP of -3.99, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid is sourced from PubChem (CID 175152462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).